A new NMR crystallographic approach to reveal the calcium local structure of atorvastatin calcium-Reference-Cited by-同舟云学术

A new NMR crystallographic approach to reveal the calcium local structure of atorvastatin calcium

Published:2019 Issue:12 Volume:21 Page:6319-6326
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Holmes Sean T.¹²³⁴⁵^ORCID,Wang Wei D.⁶⁷⁸^ORCID,Hou Guangjin¹²³⁴⁵^ORCID,Dybowski Cecil¹²³⁴⁵^ORCID,Wang Wei⁶⁷⁸^ORCID,Bai Shi¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry

2. University of Delaware

3. Newark

4. Delaware

5. USA

6. State Key Laboratory of Applied Organic Chemistry

7. Lanzhou

8. China

Abstract

We combine experimental and computational determination of ⁴³Ca solid-state NMR parameters (chemical shift tensors, quadrupolar coupling tensors, and Euler angles) to constrain the structure of the local calcium–ligand coordination environment.

Funder

National Institute of General Medical Sciences

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07673A

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